4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C11H17F3N4O — CID 55033874

IUPAC4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C11H17F3N4O/c1-4-18(5-11(12,13)14)10(19)9-7(15)8(6(2)3)16-17-9/h6H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyUMKLBQALMKFZCQ-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.14
Rot. Bonds4

About 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 55033874) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID55033874
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C11H17F3N4O/c1-4-18(5-11(12,13)14)10(19)9-7(15)8(6(2)3)16-17-9/h6H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyUMKLBQALMKFZCQ-UHFFFAOYSA-N
XLogP2.14
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 55033874) is 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is UMKLBQALMKFZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-4-18(5-11(12,13)14)10(19)9-7(15)8(6(2)3)16-17-9/h6H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55033874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).